4-chloro-1-cyclohexyl-1-propylcyclohexane

C15H27Cl — CID 66776581

IUPAC4-chloro-1-cyclohexyl-1-propylcyclohexane
SMILESCCCC1(C2CCCCC2)CCC(Cl)CC1
InChIInChI=1S/C15H27Cl/c1-2-10-15(11-8-14(16)9-12-15)13-6-4-3-5-7-13/h13-14H,2-12H2,1H3
InChIKeyKPQLHMOZDLOSRQ-UHFFFAOYSA-N
MW242.83 g/mol
LogP5.53
Rot. Bonds3

About 4-chloro-1-cyclohexyl-1-propylcyclohexane

4-chloro-1-cyclohexyl-1-propylcyclohexane (PubChem CID 66776581) has the molecular formula C15H27Cl and a molecular weight of 242.83 g/mol. Its IUPAC name is 4-chloro-1-cyclohexyl-1-propylcyclohexane.

Molecular Properties

Compound Name4-chloro-1-cyclohexyl-1-propylcyclohexane
PubChem CID66776581
Molecular FormulaC15H27Cl
Molecular Weight242.83 g/mol
Exact Mass242.18
IUPAC Name4-chloro-1-cyclohexyl-1-propylcyclohexane
SMILESCCCC1(C2CCCCC2)CCC(Cl)CC1
InChIInChI=1S/C15H27Cl/c1-2-10-15(11-8-14(16)9-12-15)13-6-4-3-5-7-13/h13-14H,2-12H2,1H3
InChIKeyKPQLHMOZDLOSRQ-UHFFFAOYSA-N
XLogP5.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.83
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-butyl-1-cycloheptylcycloheptane
CID 140610618
1-(4-cyclohexyl-1,4-dipropylcyclohexyl)cyclohexane-1-carboxylic acid
CID 18607602
1-butyl-1-cyclohexyl-4-methylcyclohexane
CID 139676896
4-cyclohexyl-1-(4-ethylcyclohexyl)-1-propylcyclohexane
CID 173329798
4-butyl-4-cyclohexylcyclohexane-1-carbonitrile
CID 143135178
2-(1-cyclohexylcyclohexyl)ethanol
CID 174399046
[1-(chloromethyl)cyclobutyl]cycloheptane
CID 82946357
(1S,7S)-1-(4-methylpentyl)bicyclo[5.2.0]nonane
CID 90760848
N-[(1-cycloheptylcyclohexyl)methyl]propan-1-amine
CID 82933014
1-cyclohexyl-1-(3-methoxypropyl)cyclohexane
CID 142637156
1-[2-(2,3,4,5,6,7,8,9,10,10a-decahydro-1H-benzo[8]annulen-4a-yl)ethyl]cyclopentane-1-thiol
CID 166778345
4-(1-propylcyclohexyl)cyclohexene
CID 174517858

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-cyclohexyl-1-propylcyclohexane?
The IUPAC name of 4-chloro-1-cyclohexyl-1-propylcyclohexane (CID 66776581) is 4-chloro-1-cyclohexyl-1-propylcyclohexane.
What is the SMILES notation for 4-chloro-1-cyclohexyl-1-propylcyclohexane?
The canonical SMILES for 4-chloro-1-cyclohexyl-1-propylcyclohexane is CCCC1(C2CCCCC2)CCC(Cl)CC1.
What is the InChIKey of 4-chloro-1-cyclohexyl-1-propylcyclohexane?
The InChIKey is KPQLHMOZDLOSRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27Cl/c1-2-10-15(11-8-14(16)9-12-15)13-6-4-3-5-7-13/h13-14H,2-12H2,1H3.
What are the key properties of 4-chloro-1-cyclohexyl-1-propylcyclohexane?
4-chloro-1-cyclohexyl-1-propylcyclohexane has a molecular weight of 242.83 g/mol, XLogP of 5.53, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-cyclohexyl-1-propylcyclohexane is sourced from PubChem (CID 66776581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).